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DCG066

CAT: 0804-HY-116971-03Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-116971-03Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DCG066 is an inhibitor of lysine methyltransferase G9a. DCG066 can bind directly to G9a and inhibit methyltransferase activity in vitro. DCG066 decreases di-methylation levels of histone H3 lysine 9 (H3K9Me2), inhibits cell proliferation and induces cell apoptosis. DCG066 displays low cytotoxicity in leukemia cell lines with high levels of G9a expression, including K562[1].
CAS Number
494786-13-9
UNSPSC
12352005
Target
Apoptosis; Histone Methyltransferase
Type
Reference compound
Related Pathways
Apoptosis; Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/dcg066.html
Concentration
10mM
Purity
99.78
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(N(C)C)NC1=CC=C(C=C1)CN2CCC(CC2)C(O)(C3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)C(F)(F)F
Molecular Formula
C30H31F6N3O2
Molecular Weight
579.58
References & Citations
[1]Kondengaden SM, et al. Discovery of novel small molecule inhibitors of lysine methyltransferase G9a and their mechanism in leukemia cell lines. Eur J Med Chem. 2016 Oct 21;122:382-393.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
EHMT2/G9a/KMT1C

Chemical Information

N'-[4-[[4-[Hydroxybis[4-(trifluoromethyl)phenyl]methyl]-1-piperidinyl]methyl]phenyl]-N,N-dimethyl-urea
CAS Number494786-13-9
PubChem CID11837558
IUPAC Name3-[4-[[4-[hydroxy-bis[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]phenyl]-1,1-dimethylurea
Molecular FormulaC30H31F6N3O2
Molecular Weight579.6
XLogP5.8
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count41
Formal Charge0
Complexity800
SMILES
CN(C)C(=O)NC1=CC=C(C=C1)CN2CCC(CC2)C(C3=CC=C(C=C3)C(F)(F)F)(C4=CC=C(C=C4)C(F)(F)F)O
InChI
InChI=1S/C30H31F6N3O2/c1-38(2)27(40)37-26-13-3-20(4-14-26)19-39-17-15-23(16-18-39)28(41,21-5-9-24(10-6-21)29(31,32)33)22-7-11-25(12-8-22)30(34,35)36/h3-14,23,41H,15-19H2,1-2H3,(H,37,40)
InChIKey
PMPKMTDYPOAEEH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N'-[4-[[4-[Hydroxybis[4-(trifluoromethyl)phenyl]methyl]-1-piperidinyl]methyl]phenyl]-N,N-dimethyl-urea
CAS: 494786-13-9
CID: 11837558
Formula: C30H31F6N3O2
MW: 579.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight579.6
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass579.23204621
Monoisotopic Mass579.23204621
Topological Polar Surface Area55.8 Ų
Heavy Atom Count41
Formal Charge0
Complexity800
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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